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6-deoxoteasterone

MNXM38653 is deprecated and here replaced by MNXM735212
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM735212 Image of MNXM735212
referencechebi:20716
formulaC28H50O3
global charge0
mol weight434.705
InChIKeyWPHVOXMMNSLJSF-GUOPQYDVSA-N
InChIInChI=1S/C28H50O3/c1-16(2)17(3)25(30)26(31)18(4)22-9-10-23-21-8-7-19-15-20(29)11-13-27(19,5)24(21)12-14-28(22,23)6/h16-26,29-31H,7-15H2,1-6H3/t17-,18-,19-,20-,21-,22+,23-,24-,25+,26+,27-,28+/m0/s1
SMILESCC(C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MNX internals
InChI (mnx)InChI=1/C28H50O3/c1-16(2)17(3)25(30)26(31)18(4)22-9-10-23-21-8-7-19-15-20(29)11-13-27(19,5)24(21)12-14-28(22,23)6/h16-26,29-31H,7-15H2,1-6H3/t17-,18-,19-,20-,21-,22+,23-,24-,25+,26+,27-,28+/m0/s1 Image of MNXM735212
SMILES (mnx)[CH3:1][CH:16]([CH3:2])[C@H:17]([CH3:3])[C@H:25]([C@@H:26]([C@@H:18]([CH3:4])[C@H:22]1[CH2:9][CH2:10][C@H:23]2[C@@H:21]3[CH2:8][CH2:7][C@H:19]4[CH2:15][C@@H:20]([OH:29])[CH2:11][CH2:13][C@:27]4([CH3:5])[C@H:24]3[CH2:12][CH2:14][C@:28]12[CH3:6])[OH:31])[OH:30]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)19
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:20716
chebi:20716
WPHVOXMMNSLJSF-GUOPQYDVSA-N 		6-deoxoteasterone
(22R,23R)-5alpha-campestane-3beta,22,23-triol
(22R,23R,24S)-5alpha-ergostane-3beta,22,23-triol
6-deoxyteasterone
Campestan-3beta,22R,23R-triol

seed.compound:cpd14535
seedM:cpd14535
WPHVOXMMNSLJSF-GUOPQYDVSA-N 		6-Deoxoteasterone
6-deoxoteasterone
deoxoteasterone

lipidmaps:LMST01030120
lipidmapsM:LMST01030120
WPHVOXMMNSLJSF-GUOPQYDVSA-N 		6-deoxoteasterone
5alpha-campestan-3beta,22R,23R-triol
O3
ST 28:0

metacyc.compound:CPD-715
metacycM:CPD-715
WPHVOXMMNSLJSF-GUOPQYDVSA-N 		6-deoxoteasterone
deoxoteasterone

seedM:M_cpd14535 		secondary/obsolete/fantasy identifier